SCHEMBL12937504

SCHEMBL12937504

COc1ccc(-c2cnc(-c3ccc(C)c(C)c3)s2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 3/20 0.49
▸ HSD17B2 P37059 3/20 0.49
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ DCTPP1 Q9H773 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PIK3CA P42336 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ PDGFRB P09619 2/20 0.41
▸ PDGFRA P16234 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12497001 0.91 HSD17B1 (0.49) HSD17B1HSD17B2CYP3A4CYP2C9KDM4E
SCHEMBL12937562 0.82 SNCA (0.51) HSD17B1HSD17B2CYP3A4CYP2C9KDM4E
SCHEMBL12937546 0.82 SNCA (0.51) HSD17B1HSD17B2KDM4EDCTPP1MEN1
SCHEMBL12937524 0.81 KDM4E (0.53) CYP3A4CYP2C9KDM4EDCTPP1MEN1
SCHEMBL12937483 0.81 PDE4A (0.44) HSD17B1HSD17B2CYP3A4CYP2C9MEN1
SCHEMBL12682345 0.77 SNCA (0.54) CYP3A4CYP2C9KDM4EDCTPP1MEN1
SCHEMBL12498097 0.77 SNCA (0.54) CYP3A4CYP2C9KDM4EDCTPP1MEN1
SCHEMBL19508309 0.77 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9KDM4E
SCHEMBL12937489 0.75 SNCA (0.47) KDM4EDCTPP1MEN1KMT2ATSHR
SCHEMBL12497223 0.75 SNCA (0.55) CYP3A4CYP2C9KDM4ETSHRPIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002298-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PROTAMED INC (US) 2018-01-04 — — US disclosed
US-20170022174-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PROTAMED INC (US) 2017-01-26 — — US disclosed
US-9334251-B2 Compounds for the treatment of neurodegenerative diseases PROTAMED, INC. (US) 2016-05-10 — — US disclosed
US-20150274681-A1 Compounds for the treatment of Neurodegenerative Diseases PROTEOTECH INC. (US) 2015-10-01 — — US disclosed
US-9085549-B2 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC (US) 2015-07-21 — — US disclosed
US-20150011604-A1 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC. (US) 2015-01-08 — — US disclosed
US-8865754-B2 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC. (US) 2014-10-21 — — US disclosed
US-20120251448-A1 Compounds for Use in the Detection of Neurodegenerative Diseases AVID RADIOPHARMACEUTICALS, INC. 2012-10-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150274681-A1 Compounds for the treatment of Neurodegenerative Diseases PSEN1, PSEN2, GRN HSD17B1 1374/4885HSD17B2 1962/4885CYP3A4 4813/4885
US-20180002298-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PSEN1, PSEN2, GRN HSD17B1 1374/4885HSD17B2 1962/4885CYP3A4 4813/4885
US-20150011604-A1 Compounds for the treatment of neurodegenerative diseases SNCA, MAPT, PARK7 HSD17B1 3806/4885HSD17B2 3827/4885CYP3A4 4520/4885
US-20120251448-A1 Compounds for Use in the Detection of Neurodegenerative Diseases SNCA, PARK7, NLN HSD17B1 4489/4885HSD17B2 4496/4885CYP3A4 4719/4885
US-20170022174-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PSEN1, PSEN2, GRN HSD17B1 1374/4885HSD17B2 1962/4885CYP3A4 4813/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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